Samuel Stoneburner

Samuel Stoneburner

Messiah University - Mechanicsburg / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1388494
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person_outline Samuel Stoneburner's MOST POPULAR ARTICLES
1-) Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4K Lee, WC Isley III, AL Dzubak, P Verma, SJ Stoneburner, LC Lin, ...Journal of the American Chemical Society 136 (2), 698-704, 20141562014
2-) Beyond density functional theory: the multiconfigurational approach to model heterogeneous catalysisCA Gaggioli, SJ Stoneburner, CJ Cramer, L GagliardiACS catalysis 9 (9), 8481-8502, 2019662019
3-) Automation of active space selection for multireference methods via machine learning on chemical bond dissociationWS Jeong, SJ Stoneburner, D King, R Li, A Walker, R Lindh, L GagliardiJournal of Chemical Theory and Computation 16 (4), 2389-2399, 2020562020
4-) Systematic expansion of active spaces beyond the CASSCF limit: A GASSCF/SplitGAS benchmark studyKD Vogiatzis, G Li Manni, SJ Stoneburner, D Ma, L GagliardiJournal of chemical theory and computation 11 (7), 3010-3021, 2015582015
5-) MC-PDFT can calculate singlet–triplet splittings of organic diradicalsSJ Stoneburner, DG Truhlar, L GagliardiThe Journal of chemical physics 148 (6), 2018492018